AC1NPZX6 structure

AC1NPZX6

[4-[[butan-2-yl-(4-chlorobenzoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate

Also Known As: 3-cyanomethylpyridine-2-carbonitrile|1-(5-(hydroxy(phenyl)methyl)thiophen-2-yl)ethan-1-one|[4-[[butan-2-yl-(4-chlorobenzoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate|4-{[(Butan-2-yl)(4-chlorobenzoyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate|4-{[N-(Butan-2-yl)-4-chlorobenzamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate|N-butan-2-yl-4-chloro-N-[[4-[3-(trifluoromethyl)phenyl]sulfonyloxyphenyl]methyl]benzamide

CAS: 5912-46-9
Molecular Formula C25H23ClF3NO4S
Molecular Weight 525.0988 g/mol
LogP 6.5674
Topological Polar Surface Area 63.68 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 8
Exact Mass 525.0988
Monoisotopic Mass 525.0988
Heavy Atoms 35
Complexity 1277.3141

Chemical Identifiers

CAS Number 5912-46-9
SMILES CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC=C(C=C3)Cl

Product Overview

AC1NPZX6 (CAS 5912-46-9), with molecular formula C25H23ClF3NO4S and molecular weight 525.0988 g/mol. IUPAC: [4-[[butan-2-yl-(4-chlorobenzoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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